1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(E)-but-2-enyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(E)-but-2-enyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[(E)-but-2-enyl]-3,7-dimethyl-xanthine Formula: C11H14N4O2 MolecularWeight: 234.25446

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

C/C=C/CN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C11H14N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h4-5,7H,6H2,1-3H3/b5-4+